{"id":"https://openalex.org/W4405419829","doi":"https://doi.org/10.1007/s11224-024-02435-w","title":"Density functional theory calculations on the ammonia interaction with BmNm (m = 47, 71, and 95) tubular clusters","display_name":"Density functional theory calculations on the ammonia interaction with BmNm (m = 47, 71, and 95) tubular clusters","publication_year":2024,"publication_date":"2024-12-16","ids":{"openalex":"https://openalex.org/W4405419829","doi":"https://doi.org/10.1007/s11224-024-02435-w"},"language":"en","primary_location":{"id":"doi:10.1007/s11224-024-02435-w","doi":"https://doi.org/10.1007/s11224-024-02435-w","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s11224-024-02435-w","pdf_url":null,"source":{"id":"https://openalex.org/S30784254","display_name":"Structural Chemistry","issn_l":"1040-0400","issn":["1040-0400","1572-9001"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Structural Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5016061938","display_name":"Jia-cong Li","orcid":"https://orcid.org/0009-0001-4935-8201","observed_orcids":["https://orcid.org/0009-0001-4935-8201"]},"institutions":[{"id":"https://openalex.org/I114117164","display_name":"University of Science and Technology Liaoning","ror":"https://ror.org/03grx7119","country_code":"CN","type":"education","lineage":["https://openalex.org/I114117164"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jia-Cong Li","raw_affiliation_strings":["School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China","institution_ids":["https://openalex.org/I114117164"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100601794","display_name":"Zhi Li","orcid":"https://orcid.org/0000-0001-6381-5037","observed_orcids":["https://orcid.org/0000-0001-6381-5037"]},"institutions":[{"id":"https://openalex.org/I114117164","display_name":"University of Science and Technology Liaoning","ror":"https://ror.org/03grx7119","country_code":"CN","type":"education","lineage":["https://openalex.org/I114117164"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Zhi Li","raw_affiliation_strings":["School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China","institution_ids":["https://openalex.org/I114117164"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109431043","display_name":"Shu-qi Yang","orcid":"https://orcid.org/0009-0007-6239-7487","observed_orcids":["https://orcid.org/0009-0007-6239-7487"]},"institutions":[{"id":"https://openalex.org/I114117164","display_name":"University of Science and Technology Liaoning","ror":"https://ror.org/03grx7119","country_code":"CN","type":"education","lineage":["https://openalex.org/I114117164"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shu-qi Yang","raw_affiliation_strings":["School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China","institution_ids":["https://openalex.org/I114117164"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102632006","display_name":"Jia-hui Yin","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I114117164","display_name":"University of Science and Technology Liaoning","ror":"https://ror.org/03grx7119","country_code":"CN","type":"education","lineage":["https://openalex.org/I114117164"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jia-hui Yin","raw_affiliation_strings":["School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China","institution_ids":["https://openalex.org/I114117164"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101770671","display_name":"Yuan Hu","orcid":"https://orcid.org/0000-0002-8951-5881","observed_orcids":["https://orcid.org/0000-0002-8951-5881"]},"institutions":[{"id":"https://openalex.org/I114117164","display_name":"University of Science and Technology Liaoning","ror":"https://ror.org/03grx7119","country_code":"CN","type":"education","lineage":["https://openalex.org/I114117164"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuan Hu","raw_affiliation_strings":["School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People\u2019s Republic of China","institution_ids":["https://openalex.org/I114117164"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5100601794"],"corresponding_institution_ids":["https://openalex.org/I114117164"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":0.6124,"has_fulltext":false,"cited_by_count":7,"citation_normalized_percentile":{"value":0.54739504,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"36","issue":"3","first_page":"1055","last_page":"1066"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11341","display_name":"Boron and Carbon Nanomaterials Research","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11341","display_name":"Boron and Carbon Nanomaterials Research","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12055","display_name":"Boron Compounds in Chemistry","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/ammonia-adsorption","display_name":"ammonia adsorption","score":0.9670000076293945},{"id":"https://openalex.org/keywords/boron-nitride-nanotubes","display_name":"boron nitride nanotubes","score":0.9929999709129333},{"id":"https://openalex.org/keywords/chemisorption","display_name":"chemisorption","score":0.6539999842643738},{"id":"https://openalex.org/keywords/charge-transfer","display_name":"charge transfer","score":0.6209999918937683},{"id":"https://openalex.org/keywords/structural-defects","display_name":"structural defects","score":0.6679999828338623},{"id":"https://openalex.org/keywords/nanotube-diameter","display_name":"nanotube diameter","score":0.7429999709129333},{"id":"https://openalex.org/keywords/recovery-time","display_name":"recovery time","score":0.6320000290870667},{"id":"https://openalex.org/keywords/electronic-properties","display_name":"electronic properties","score":0.7409999966621399},{"id":"https://openalex.org/keywords/cluster-stability","display_name":"cluster stability","score":0.7940000295639038}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9717292785644531},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7170321941375732},{"id":"https://openalex.org/C2776382133","wikidata":"https://www.wikidata.org/wiki/Q4087","display_name":"Ammonia","level":2,"score":0.6199297904968262},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.5769032835960388},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.12310117483139038}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s11224-024-02435-w","doi":"https://doi.org/10.1007/s11224-024-02435-w","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s11224-024-02435-w","pdf_url":null,"source":{"id":"https://openalex.org/S30784254","display_name":"Structural Chemistry","issn_l":"1040-0400","issn":["1040-0400","1572-9001"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Structural Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":65,"referenced_works":["https://openalex.org/W648865860","https://openalex.org/W1550186202","https://openalex.org/W1555525158","https://openalex.org/W1644958319","https://openalex.org/W1965752441","https://openalex.org/W1966750682","https://openalex.org/W1981368803","https://openalex.org/W2005365840","https://openalex.org/W2008776397","https://openalex.org/W2029252904","https://openalex.org/W2034560301","https://openalex.org/W2037904314","https://openalex.org/W2038479743","https://openalex.org/W2046585654","https://openalex.org/W2053870478","https://openalex.org/W2065080436","https://openalex.org/W2066650976","https://openalex.org/W2082432262","https://openalex.org/W2090769749","https://openalex.org/W2092596945","https://openalex.org/W2095204406","https://openalex.org/W2104730763","https://openalex.org/W2161329382","https://openalex.org/W2169000524","https://openalex.org/W2180271794","https://openalex.org/W2204300215","https://openalex.org/W2234335651","https://openalex.org/W2329970962","https://openalex.org/W2396743575","https://openalex.org/W2482043301","https://openalex.org/W2509701682","https://openalex.org/W2521987245","https://openalex.org/W2725853456","https://openalex.org/W2731117902","https://openalex.org/W2742751709","https://openalex.org/W2742863290","https://openalex.org/W2801278521","https://openalex.org/W2804742494","https://openalex.org/W2805954108","https://openalex.org/W2895960544","https://openalex.org/W2899673530","https://openalex.org/W2945269473","https://openalex.org/W2946722965","https://openalex.org/W2980869484","https://openalex.org/W2991437076","https://openalex.org/W2998792659","https://openalex.org/W3087148677","https://openalex.org/W3087715989","https://openalex.org/W3089870526","https://openalex.org/W3137871416","https://openalex.org/W4294838476","https://openalex.org/W4312068683","https://openalex.org/W4320473899","https://openalex.org/W4323256308","https://openalex.org/W4327729429","https://openalex.org/W4379386781","https://openalex.org/W4389409129","https://openalex.org/W4390115773","https://openalex.org/W4390347843","https://openalex.org/W4391281812","https://openalex.org/W4392296176","https://openalex.org/W4392938239","https://openalex.org/W4394762578","https://openalex.org/W4401474651","https://openalex.org/W4402488700"],"related_works":["https://openalex.org/W4400743521","https://openalex.org/W4389409129","https://openalex.org/W2945269473","https://openalex.org/W1965081289","https://openalex.org/W4387640587","https://openalex.org/W2089447363","https://openalex.org/W2809493873","https://openalex.org/W2095204406","https://openalex.org/W7222822757","https://openalex.org/W4392296176"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":1}],"updated_date":"2026-11-08T12:12:28.789561","created_date":"2024-12-16T00:00:00"}
